(phenylmethyl) 2-quinazolin-4-ylsulfanylethanoate

Systemtic Name: (phenylmethyl) 2-quinazolin-4-ylsulfanylethanoate Openeye Name: benzyl 2-quinazolin-4-ylsulfanylacetate CAS Name: 2-(4-quinazolinylthio)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-quinazolin-4-ylsulfanylacetate Traditional Name: 2-(quinazolin-4-ylthio)acetic acid benzyl ester Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C17H14N2O2S/c20-16(21-10-13-6-2-1-3-7-13)11-22-17-14-8-4-5-9-15(14)18-12-19-17/h1-9,12H,10-11H2